disodium 4-[4-methyl-5-(oxidanidyloxymethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: disodium 4-[4-methyl-5-(oxidanidyloxymethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: disodium 4-[4-methyl-5-(oxidooxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: disodium 4-[4-methyl-5-(oxidooxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: disodium 4-[4-methyl-5-(oxidooxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: disodium 4-[5-keto-4-methyl-3-(oxidooxymethyl)-3-pyrazolin-1-yl]besylate Formula: C11H10N2Na2O6S MolecularWeight: 344.25144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])CO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])CO[O-].[Na+].[Na+]

InChI

InChI=1S/C11H12N2O6S.2Na/c1-7-10(6-19-15)12-13(11(7)14)8-2-4-9(5-3-8)20(16,17)18;;/h2-5,12,15H,6H2,1H3,(H,16,17,18);;/q;2*+1/p-2